3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-6-carboxylic acid

C8H8BrNO2 — CID 83911522

IUPAC3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-6-carboxylic acid
SMILESO=C(O)C1CCc2c1c[nH]c2Br
InChIInChI=1S/C8H8BrNO2/c9-7-4-1-2-5(8(11)12)6(4)3-10-7/h3,5,10H,1-2H2,(H,11,12)
InChIKeyMGVXENNKZBPHGH-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.89
Rot. Bonds1

About 3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-6-carboxylic acid

3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-6-carboxylic acid (PubChem CID 83911522) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-6-carboxylic acid.

Molecular Properties

Compound Name3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-6-carboxylic acid
PubChem CID83911522
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-6-carboxylic acid
SMILESO=C(O)C1CCc2c1c[nH]c2Br
InChIInChI=1S/C8H8BrNO2/c9-7-4-1-2-5(8(11)12)6(4)3-10-7/h3,5,10H,1-2H2,(H,11,12)
InChIKeyMGVXENNKZBPHGH-UHFFFAOYSA-N
XLogP1.89
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 130665257
2-(3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl)ethanamine
CID 83911428
(1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 86332255
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
(1S)-4,5,6-trimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71405237
1-chloro-5-methyl-4,5,6,7-tetrahydro-2H-isoindole-4-carboxylic acid
CID 112716624
5,6-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 22902102
6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71463972
(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 86336246
2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine
CID 174646210
12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-5-carboxylic acid
CID 117275173
(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-6-carboxylic acid?
The IUPAC name of 3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-6-carboxylic acid (CID 83911522) is 3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-6-carboxylic acid.
What is the SMILES notation for 3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-6-carboxylic acid?
The canonical SMILES for 3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-6-carboxylic acid is O=C(O)C1CCc2c1c[nH]c2Br.
What is the InChIKey of 3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-6-carboxylic acid?
The InChIKey is MGVXENNKZBPHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c9-7-4-1-2-5(8(11)12)6(4)3-10-7/h3,5,10H,1-2H2,(H,11,12).
What are the key properties of 3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-6-carboxylic acid?
3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-6-carboxylic acid has a molecular weight of 230.06 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-6-carboxylic acid is sourced from PubChem (CID 83911522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).